从一个低坐标的基尼里龙复合物中产生二结合和功能化
Samuel M Bhutto1, Brandon Q Mercado1, Patrick L Holland1
1Department of Chemistry, Yale University, New Haven, Connecticut 06511, United States.
Inorganic chemistry
|June 9, 2023
概括
铁(I) 烯复合物可以结合 (N2),形成一个稳定的复合物. 化产生一个disiylhydrazido复合物,其中基基因组由于强铁-碳键而抵抗迁移.
科学领域:
- 有机金属化学 有机金属化学
- 协调化学 协调化学
背景情况:
- 低坐标过渡金属复合体具有独特的固体和电子性能.
- 基联体具有有趣的结合和反应性.
研究的目的:
- 为了研究铁的 (N2) 结合能力的 (N2) 结合能力.
- 描述由此产生的N2复合物及其衍生物.
主要方法:
- 铁的合成和分离 (I) 基复合物.
- 用于结构确定的X射线晶体学.
- 化反应 化反应.
- 自然债券轨道 (NBO) 分析.
- 密度函数理论 (DFT) 的计算.
主要成果:
- 铁 (I) N2复合物的隔离和结构特征.
- 在化后形成一个稳定,可分离的铁复合物与一个disiylhydrazido(2-) 配体.
- NBO的分析表明,对于化复合物来说,铁 (II) 配方更准确.
- 基尼尔连接体没有经历迁移,与此前报告的类相似物不同.
- DFT的计算确定了强大的铁-碳键能量是基基基团对迁移的抗性的一个关键因素.
结论:
- 铁 (I) 烯复合体能够结合分子.
- 化提供了一条通往新型铁-化化合物复合物的途径.
- 基联体对迁移的抵抗性归因于其与铁的强烈结合,与联体形成鲜明对比.
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